3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide

C19H16Cl2N2O2S — CID 18626121

IUPAC3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NCc1cccs1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-18-7-5-13(10-17(18)22-11-14-3-2-8-26-14)23-19(24)12-4-6-15(20)16(21)9-12/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyQUAXNMNMXZWCIP-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.93
Rot. Bonds6

About 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide

3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide (PubChem CID 18626121) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide
PubChem CID18626121
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NCc1cccs1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-18-7-5-13(10-17(18)22-11-14-3-2-8-26-14)23-19(24)12-4-6-15(20)16(21)9-12/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyQUAXNMNMXZWCIP-UHFFFAOYSA-N
XLogP5.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
CID 18626261
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
CID 118878026
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide (CID 18626121) is 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NCc1cccs1.
What is the InChIKey of 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide?
The InChIKey is QUAXNMNMXZWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-25-18-7-5-13(10-17(18)22-11-14-3-2-8-26-14)23-19(24)12-4-6-15(20)16(21)9-12/h2-10,22H,11H2,1H3,(H,23,24).
What are the key properties of 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide?
3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide has a molecular weight of 407.32 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 18626121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).